EGF-05191 Red
O=C(c1ccc(=O)[nH]c1)N1CCC(N2CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccc(O)cc4)c3)CC2)CC1
0.285
Platform Score
2D Structure
C33H33N5O4 | Exact mass: 563.2533
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
564
MW
2
HBD
3.9
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (PDB: 1M17) |
| Selective | No |
Selectivity Profile
ADMET Profile
| BBB (BOILED-Egg) | BBB- (non-penetrant) |
| ADMET Status | Pass (no hard fails) |
CNS Drug-Likeness
Physicochemical Properties
| Molecular Weight | 563.70 Da |
| TPSA | 109.8 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 3.87 |
| Fsp3 | 0.273 |
| Rotatable Bonds | 5 |
| Rings | 6 (4 aromatic) |
| QED | 0.382 |
| SA Score | 2.64 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C33H33N5O4 |
| Exact Mass | 563.2533 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |